Anrakorinine

AlkaPlorer ID: AK288073

Synonym: 20-(1,5-Dimethyl-2-piperidinyl)-pregn-5-ene-3,16,18-triol

IUPAC Name: 17-[1-(1,5-dimethylpiperidin-2-yl)ethyl]-13-(hydroxymethyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

Structure

SMILES: CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32CO)N(C)C1

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InChI: InChI=1S/C28H47NO3/c1-17-5-8-24(29(4)15-17)18(2)26-25(32)14-23-21-7-6-19-13-20(31)9-11-27(19,3)22(21)10-12-28(23,26)16-30/h6,17-18,20-26,30-32H,5,7-16H2,1-4H3

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InChIKey: STCDFEAJLQERQV-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 445.68800000000033

TPSA: 63.93

MolLogP: 4.235900000000004

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information